From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Wed Jan 22 2014 - 18:22:03 CST
Based on this recent publication http://onlinelibrary.wiley.com/doi/10.1002/jcc.23501/abstract
NAMD2.9 stumbles compared with gromacs and an improved version of charmm on a large system (465404 atoms and 500 cores).
Any ideas as to the cause of this dramatic difference in speed between 256 and 400 cores?
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